SCHEMBL14711548

SCHEMBL14711548

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)c3c2CCC3)c1NC(=O)OC(C)c1ccccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.78
LPAR3 Q9UBY5 5/20 0.78
LPAR2 Q9HBW0 2/20 0.78
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
NR1H4 Q96RI1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14709973 1.00 LPAR1 (0.78) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14710034 0.98 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14788791 0.93 LPAR1 (0.66) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14711506 0.92 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14709969 0.91 LPAR1 (0.69) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14712043 0.91 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14710041 0.91 LPAR1 (0.70) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14788757 0.90 LPAR1 (0.82) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14711772 0.90 LPAR1 (0.72) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14709976 0.90 LPAR1 (0.72) LPAR1LPAR3LPAR2ABCC3ABCC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed